2-[(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)sulfanyl]acetic acid CAS Name: 2-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)thio]acetic acid IUPAC Name: 2-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)sulfanyl]acetic acid Traditional Name: 2-[(7-nitro-3-oxido-benzofurazan-3-ium-4-yl)thio]acetic acid Formula: C8H5N3O6S MolecularWeight: 271.2068

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NO[N+](=C2C(=C1)SCC(=O)O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C2=NO[N+](=C2C(=C1)SCC(=O)O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H5N3O6S/c12-6(13)3-18-5-2-1-4(10(14)15)7-8(5)11(16)17-9-7/h1-2H,3H2,(H,12,13)